4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-(1-methylpiperidin-4-yl)benzamide

C23H31N3O3S — CID 53278671

IUPAC4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-(1-methylpiperidin-4-yl)benzamide
SMILESCc1ccc(N(Cc2ccc(C(=O)NC3CCN(C)CC3)cc2)S(C)(=O)=O)cc1C
InChIInChI=1S/C23H31N3O3S/c1-17-5-10-22(15-18(17)2)26(30(4,28)29)16-19-6-8-20(9-7-19)23(27)24-21-11-13-25(3)14-12-21/h5-10,15,21H,11-14,16H2,1-4H3,(H,24,27)
InChIKeyFWGWWKXMTYNQDJ-UHFFFAOYSA-N
MW429.59 g/mol
LogP3.09
Rot. Bonds6

About 4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-(1-methylpiperidin-4-yl)benzamide

4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-(1-methylpiperidin-4-yl)benzamide (PubChem CID 53278671) has the molecular formula C23H31N3O3S and a molecular weight of 429.59 g/mol. Its IUPAC name is 4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-(1-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-(1-methylpiperidin-4-yl)benzamide
PubChem CID53278671
Molecular FormulaC23H31N3O3S
Molecular Weight429.59 g/mol
Exact Mass429.21
IUPAC Name4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-(1-methylpiperidin-4-yl)benzamide
SMILESCc1ccc(N(Cc2ccc(C(=O)NC3CCN(C)CC3)cc2)S(C)(=O)=O)cc1C
InChIInChI=1S/C23H31N3O3S/c1-17-5-10-22(15-18(17)2)26(30(4,28)29)16-19-6-8-20(9-7-19)23(27)24-21-11-13-25(3)14-12-21/h5-10,15,21H,11-14,16H2,1-4H3,(H,24,27)
InChIKeyFWGWWKXMTYNQDJ-UHFFFAOYSA-N
XLogP3.09
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.59
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-4-[(3,5-dimethyl-N-methylsulfonylanilino)methyl]benzamide
CID 53287051
N-(1-methylpiperidin-4-yl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide
CID 53280013
N-[(2R)-butan-2-yl]-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide
CID 1131217
4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(1-methylpiperidin-4-yl)benzamide
CID 56700074
4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-(2,5-dimethylphenyl)benzamide
CID 2884397
N-[(4-chlorophenyl)methyl]-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide
CID 1107896
4-[ethyl(ethylsulfonyl)amino]-N-(1-methylpiperidin-4-yl)benzamide
CID 50945980
N-(2,6-difluorophenyl)-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide
CID 2206398
4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-N-(1-methylpiperidin-4-yl)benzamide
CID 53278728
N-(3,4-difluorophenyl)-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide
CID 53280605
4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-(1-phenylethyl)benzamide
CID 2884769
N-cyclopropyl-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 989117

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-(1-methylpiperidin-4-yl)benzamide?
The IUPAC name of 4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-(1-methylpiperidin-4-yl)benzamide (CID 53278671) is 4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-(1-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-(1-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-(1-methylpiperidin-4-yl)benzamide is Cc1ccc(N(Cc2ccc(C(=O)NC3CCN(C)CC3)cc2)S(C)(=O)=O)cc1C.
What is the InChIKey of 4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-(1-methylpiperidin-4-yl)benzamide?
The InChIKey is FWGWWKXMTYNQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3S/c1-17-5-10-22(15-18(17)2)26(30(4,28)29)16-19-6-8-20(9-7-19)23(27)24-21-11-13-25(3)14-12-21/h5-10,15,21H,11-14,16H2,1-4H3,(H,24,27).
What are the key properties of 4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-(1-methylpiperidin-4-yl)benzamide?
4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-(1-methylpiperidin-4-yl)benzamide has a molecular weight of 429.59 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-(1-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 53278671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).